2,6-dimethyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carbothioamide

C15H29N3OS — CID 2725456

IUPAC2,6-dimethyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carbothioamide
SMILESCC1CCCC(C)N1C(=S)NCCCN1CCOCC1
InChIInChI=1S/C15H29N3OS/c1-13-5-3-6-14(2)18(13)15(20)16-7-4-8-17-9-11-19-12-10-17/h13-14H,3-12H2,1-2H3,(H,16,20)
InChIKeyNKEASARVOPGOOG-UHFFFAOYSA-N
MW299.48 g/mol
LogP1.85
Rot. Bonds4

About 2,6-dimethyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carbothioamide

2,6-dimethyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carbothioamide (PubChem CID 2725456) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is 2,6-dimethyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carbothioamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carbothioamide
PubChem CID2725456
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC Name2,6-dimethyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carbothioamide
SMILESCC1CCCC(C)N1C(=S)NCCCN1CCOCC1
InChIInChI=1S/C15H29N3OS/c1-13-5-3-6-14(2)18(13)15(20)16-7-4-8-17-9-11-19-12-10-17/h13-14H,3-12H2,1-2H3,(H,16,20)
InChIKeyNKEASARVOPGOOG-UHFFFAOYSA-N
XLogP1.85
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carbothioamide?
The IUPAC name of 2,6-dimethyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carbothioamide (CID 2725456) is 2,6-dimethyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carbothioamide.
What is the SMILES notation for 2,6-dimethyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carbothioamide?
The canonical SMILES for 2,6-dimethyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carbothioamide is CC1CCCC(C)N1C(=S)NCCCN1CCOCC1.
What is the InChIKey of 2,6-dimethyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carbothioamide?
The InChIKey is NKEASARVOPGOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-13-5-3-6-14(2)18(13)15(20)16-7-4-8-17-9-11-19-12-10-17/h13-14H,3-12H2,1-2H3,(H,16,20).
What are the key properties of 2,6-dimethyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carbothioamide?
2,6-dimethyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carbothioamide has a molecular weight of 299.48 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carbothioamide is sourced from PubChem (CID 2725456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).